ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate

C35H38F2N2O8 — CID 158233848

IUPACethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccc(CC)cc2O)c(F)c1.CCOC(=O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C18H20FNO4.C17H18FNO4/c1-4-12-6-8-16(17(10-12)22-3)24-15-9-7-13(11-14(15)19)20-18(21)23-5-2;1-3-11-5-7-16(14(20)9-11)23-15-8-6-12(10-13(15)18)19-17(21)22-4-2/h6-11H,4-5H2,1-3H3,(H,20,21);5-10,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyGESFMDAEQRLURL-UHFFFAOYSA-N
MW652.69 g/mol
LogP9.21
Rot. Bonds11

About ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate

ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate (PubChem CID 158233848) has the molecular formula C35H38F2N2O8 and a molecular weight of 652.69 g/mol. Its IUPAC name is ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
PubChem CID158233848
Molecular FormulaC35H38F2N2O8
Molecular Weight652.69 g/mol
Exact Mass652.26
IUPAC Nameethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate
SMILESCCOC(=O)Nc1ccc(Oc2ccc(CC)cc2O)c(F)c1.CCOC(=O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1
InChIInChI=1S/C18H20FNO4.C17H18FNO4/c1-4-12-6-8-16(17(10-12)22-3)24-15-9-7-13(11-14(15)19)20-18(21)23-5-2;1-3-11-5-7-16(14(20)9-11)23-15-8-6-12(10-13(15)18)19-17(21)22-4-2/h6-11H,4-5H2,1-3H3,(H,20,21);5-10,20H,3-4H2,1-2H3,(H,19,21)
InChIKeyGESFMDAEQRLURL-UHFFFAOYSA-N
XLogP9.21
TPSA124.58 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500652.69
LogP ≤ 59.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate with MolForge

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Related Compounds

N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]-4-hydroxybutanamide
CID 59191367
2-(4-amino-2-fluorophenoxy)-5-ethylphenol;N-ethyl-4-(4-ethyl-2-methoxyphenoxy)-3-fluoroaniline;4-ethyl-1-(2-fluoro-4-nitrophenoxy)-2-methoxybenzene
CID 157184786
ethyl N-(4-fluoro-3-methoxyphenyl)carbamate
CID 114840894
2-amino-N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]ethanesulfonamide
CID 59191391
1-(4-ethyl-2-methoxyphenoxy)-2-fluoro-4-methylbenzene
CID 143582804
1-[4-(4-ethyl-2-methoxyphenoxy)-3-fluoroanilino]butan-1-ol
CID 141196334
ethyl N-(3-amino-4-fluorophenyl)carbamate
CID 22005857
ethyl N-[4-methoxy-3-(methylamino)phenyl]carbamate
CID 163895586
methyl N-(4-ethoxy-3-fluorophenyl)carbamate
CID 110777389
5-ethyl-2-[2-fluoro-4-(3-hydroxypropylamino)phenoxy]phenol;3-[4-(4-ethyl-2-phenylmethoxyphenoxy)-3-fluoroanilino]propan-1-ol;methane
CID 159701037
N-ethyl-4-(4-ethyl-2-hydroxyphenoxy)-3-fluorobenzenesulfonamide
CID 59191345
4-(4-ethyl-2-methoxyphenoxy)-3-fluoro-N-(1H-imidazol-5-ylmethyl)aniline
CID 59191244

Frequently Asked Questions

What is the IUPAC name of ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate?
The IUPAC name of ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate (CID 158233848) is ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate.
What is the SMILES notation for ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate?
The canonical SMILES for ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate is CCOC(=O)Nc1ccc(Oc2ccc(CC)cc2O)c(F)c1.CCOC(=O)Nc1ccc(Oc2ccc(CC)cc2OC)c(F)c1.
What is the InChIKey of ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate?
The InChIKey is GESFMDAEQRLURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FNO4.C17H18FNO4/c1-4-12-6-8-16(17(10-12)22-3)24-15-9-7-13(11-14(15)19)20-18(21)23-5-2;1-3-11-5-7-16(14(20)9-11)23-15-8-6-12(10-13(15)18)19-17(21)22-4-2/h6-11H,4-5H2,1-3H3,(H,20,21);5-10,20H,3-4H2,1-2H3,(H,19,21).
What are the key properties of ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate?
ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate has a molecular weight of 652.69 g/mol, XLogP of 9.21, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[4-(4-ethyl-2-hydroxyphenoxy)-3-fluorophenyl]carbamate;ethyl N-[4-(4-ethyl-2-methoxyphenoxy)-3-fluorophenyl]carbamate is sourced from PubChem (CID 158233848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).